6-amino-2-(2-fluorophenyl)chromen-4-one

C15H10FNO2 — CID 18568649

IUPAC6-amino-2-(2-fluorophenyl)chromen-4-one
SMILESNc1ccc2oc(-c3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C15H10FNO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-8H,17H2
InChIKeyRMBCRGUUSADFCG-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.18
Rot. Bonds1

About 6-amino-2-(2-fluorophenyl)chromen-4-one

6-amino-2-(2-fluorophenyl)chromen-4-one (PubChem CID 18568649) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-amino-2-(2-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name6-amino-2-(2-fluorophenyl)chromen-4-one
PubChem CID18568649
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name6-amino-2-(2-fluorophenyl)chromen-4-one
SMILESNc1ccc2oc(-c3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C15H10FNO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-8H,17H2
InChIKeyRMBCRGUUSADFCG-UHFFFAOYSA-N
XLogP3.18
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-fluorophenyl)chromen-4-one?
The IUPAC name of 6-amino-2-(2-fluorophenyl)chromen-4-one (CID 18568649) is 6-amino-2-(2-fluorophenyl)chromen-4-one.
What is the SMILES notation for 6-amino-2-(2-fluorophenyl)chromen-4-one?
The canonical SMILES for 6-amino-2-(2-fluorophenyl)chromen-4-one is Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1.
What is the InChIKey of 6-amino-2-(2-fluorophenyl)chromen-4-one?
The InChIKey is RMBCRGUUSADFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-8H,17H2.
What are the key properties of 6-amino-2-(2-fluorophenyl)chromen-4-one?
6-amino-2-(2-fluorophenyl)chromen-4-one has a molecular weight of 255.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-fluorophenyl)chromen-4-one is sourced from PubChem (CID 18568649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).